N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C20H20N4O4 — CID 176502571

IUPACN-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-26-16-10-28-17-15(9-27-18(16)17)23-20(25)12-7-14-19(21-8-12)24(11-22-14)13-5-3-2-4-6-13/h2-8,11,15-18H,9-10H2,1H3,(H,23,25)/t15-,16-,17-,18-/m1/s1
InChIKeyHWJNHFBSDBDZBY-BRSBDYLESA-N
MW380.40 g/mol
LogP1.33
Rot. Bonds4

About N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176502571) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176502571
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-26-16-10-28-17-15(9-27-18(16)17)23-20(25)12-7-14-19(21-8-12)24(11-22-14)13-5-3-2-4-6-13/h2-8,11,15-18H,9-10H2,1H3,(H,23,25)/t15-,16-,17-,18-/m1/s1
InChIKeyHWJNHFBSDBDZBY-BRSBDYLESA-N
XLogP1.33
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176502571) is N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC(=O)c1cnc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HWJNHFBSDBDZBY-BRSBDYLESA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-16-10-28-17-15(9-27-18(16)17)23-20(25)12-7-14-19(21-8-12)24(11-22-14)13-5-3-2-4-6-13/h2-8,11,15-18H,9-10H2,1H3,(H,23,25)/t15-,16-,17-,18-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176502571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).